2-Chloro-5-fluoronicotinonitrile

C₆H₂ClFN₂CAS 791644-48-9156.54 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆H₂ClFN₂
Molar mass: 156.54 g/mol
Exact mass: 155.9891 Da
logP: 1.75Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

791644-48-9

SMILES

C1=C(C=NC(=C1C#N)Cl)F

InChIKey

SUBZTZVHVGYOPM-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H

Weigh it out

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Names and synonyms

1 names

2-Chloro-5-fluoropyridine-3-carbonitrile

Work with 2-Chloro-5-fluoronicotinonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-2-chloro-3-pyridinecarbonitrile405224-23-959 % similar 2-Chloro-5-iodo-3-pyridinecarbonitrile766515-34-859 % similar 2,3-Dichloro-5-fluoropyridine185985-40-453 % similar 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile82671-02-151 % similar 2-Chloro-5-nitropyridine-3-carbonitrile31309-08-750 % similar 2-Chloro-5-fluoro-3-methylpyridine38186-84-450 % similar 3-Bromo-2-chloro-5-fluoropyridine884494-36-450 % similar 2-Chloro-5-fluoro-3-pyridinamine884495-37-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook